2-(3-fluoropropylsulfinyl)acetonitrile

C5H8FNOS — CID 87342349

IUPAC2-(3-fluoropropylsulfinyl)acetonitrile
SMILESN#CCS(=O)CCCF
InChIInChI=1S/C5H8FNOS/c6-2-1-4-9(8)5-3-7/h1-2,4-5H2
InChIKeyCLLMAECFVQUGDB-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.62
Rot. Bonds4

About 2-(3-fluoropropylsulfinyl)acetonitrile

2-(3-fluoropropylsulfinyl)acetonitrile (PubChem CID 87342349) has the molecular formula C5H8FNOS and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoropropylsulfinyl)acetonitrile
PubChem CID87342349
Molecular FormulaC5H8FNOS
Molecular Weight149.19 g/mol
Exact Mass149.03
IUPAC Name2-(3-fluoropropylsulfinyl)acetonitrile
SMILESN#CCS(=O)CCCF
InChIInChI=1S/C5H8FNOS/c6-2-1-4-9(8)5-3-7/h1-2,4-5H2
InChIKeyCLLMAECFVQUGDB-UHFFFAOYSA-N
XLogP0.62
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoropropylsulfinyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfinyl)acetonitrile?
The IUPAC name of 2-(3-fluoropropylsulfinyl)acetonitrile (CID 87342349) is 2-(3-fluoropropylsulfinyl)acetonitrile.
What is the SMILES notation for 2-(3-fluoropropylsulfinyl)acetonitrile?
The canonical SMILES for 2-(3-fluoropropylsulfinyl)acetonitrile is N#CCS(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfinyl)acetonitrile?
The InChIKey is CLLMAECFVQUGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNOS/c6-2-1-4-9(8)5-3-7/h1-2,4-5H2.
What are the key properties of 2-(3-fluoropropylsulfinyl)acetonitrile?
2-(3-fluoropropylsulfinyl)acetonitrile has a molecular weight of 149.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfinyl)acetonitrile is sourced from PubChem (CID 87342349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).